5-bromo-7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indole

C11H9BrClN — CID 10923627

IUPAC5-bromo-7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESClc1cc(Br)c2[nH]c3c(c2c1)CCC3
InChIInChI=1S/C11H9BrClN/c12-9-5-6(13)4-8-7-2-1-3-10(7)14-11(8)9/h4-5,14H,1-3H2
InChIKeyIHFFWIINABLYIL-UHFFFAOYSA-N
MW270.56 g/mol
LogP4.07
Rot. Bonds

About 5-bromo-7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indole

5-bromo-7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indole (PubChem CID 10923627) has the molecular formula C11H9BrClN and a molecular weight of 270.56 g/mol. Its IUPAC name is 5-bromo-7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indole.

Molecular Properties

Compound Name5-bromo-7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indole
PubChem CID10923627
Molecular FormulaC11H9BrClN
Molecular Weight270.56 g/mol
Exact Mass268.96
IUPAC Name5-bromo-7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESClc1cc(Br)c2[nH]c3c(c2c1)CCC3
InChIInChI=1S/C11H9BrClN/c12-9-5-6(13)4-8-7-2-1-3-10(7)14-11(8)9/h4-5,14H,1-3H2
InChIKeyIHFFWIINABLYIL-UHFFFAOYSA-N
XLogP4.07
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.56
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole
CID 65335430
5,7-dichloro-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
CID 61381816
6-bromo-8-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 104509007
7-chloro-5-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 61382713
2-bromo-3,4-dichloro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 107792833
3-bromo-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 7074175
8-bromo-5-chloro-2,3,4,9-tetrahydro-1H-carbazole
CID 155399075
8-chloro-2,3,4,9-tetrahydro-1H-carbazole
CID 14415821
5-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 61382730
1,6-dibromo-3-chloro-9H-carbazole
CID 171793473
6-chloro-8-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 146381956
methyl 1-chloro-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 69163310

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indole?
The IUPAC name of 5-bromo-7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indole (CID 10923627) is 5-bromo-7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indole.
What is the SMILES notation for 5-bromo-7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indole?
The canonical SMILES for 5-bromo-7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indole is Clc1cc(Br)c2[nH]c3c(c2c1)CCC3.
What is the InChIKey of 5-bromo-7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indole?
The InChIKey is IHFFWIINABLYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN/c12-9-5-6(13)4-8-7-2-1-3-10(7)14-11(8)9/h4-5,14H,1-3H2.
What are the key properties of 5-bromo-7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indole?
5-bromo-7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indole has a molecular weight of 270.56 g/mol, XLogP of 4.07, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indole is sourced from PubChem (CID 10923627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).